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Ligand

NameCHEMBL153136
Molecular formulaC26H38N4O2
IUPAC name1-[[5-[[4-(2-butan-2-yloxyphenyl)piperazin-1-yl]methyl]-1-methylpyrrol-2-yl]methyl]piperidin-2-one
Molecular weight438.616
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsSCHEMBL9751028
BDBM50001889
1-[[5-[[4-[2-(1-Methylpropyloxy)phenyl]-1-piperazinyl]methyl]-1-methyl-1H-pyrrol-2-yl]methyl]piperidin-2-one
1-{5-[4-(2-sec-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-piperidin-2-one
Inchi KeyCERMMWURJWEJSR-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H38N4O2/c1-4-21(2)32-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-22-12-13-23(27(22)3)20-30-14-8-7-11-26(30)31/h5-6,9-10,12-13,21H,4,7-8,11,14-20H2,1-3H3
PubChem CID15124076
ChEMBLCHEMBL153136
IUPHARN/A
BindingDB50001889
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
401925-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
401935-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
40191D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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